5-(4-ethoxyanilino)-2-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(4-ethoxyanilino)-2-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile
5-(4-ethoxyanilino)-2-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile
Compound characteristics
Compound ID: | Y070-1445 |
Compound Name: | 5-(4-ethoxyanilino)-2-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile |
Molecular Weight: | 412.49 |
Molecular Formula: | C19 H16 N4 O3 S2 |
Smiles: | CCOc1ccc(cc1)Nc1c(C#N)nc(\C=C2/C(N(CC=C)C(=S)S2)=O)o1 |
Stereo: | ACHIRAL |
logP: | 3.9738 |
logD: | 3.9738 |
logSw: | -3.9848 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.47 |
InChI Key: | DLWKQWYJVFAXER-UHFFFAOYSA-N |